BDBM30712 6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride::6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethyl-phenol;hydrochloride::6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol;hydrochloride::MLS000038040::Oxymetazoline::SMR000059324::cid_66259

SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C

InChI Key InChIKey=WYWIFABBXFUGLM-UHFFFAOYSA-N

Data  90 KI  2 IC50  19 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 111 hits for monomerid = 30712   

Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  70nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
Target5-hydroxytryptamine receptor 1E(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  99nMpH: 7.4 T: 2°CAssay Description:The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
Target5-hydroxytryptamine receptor 1A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  426nMpH: 7.4 T: 2°CAssay Description:A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: >4.00E+4nMAssay Description:External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...More data for this Ligand-Target Pair
In DepthDetails
PCBioAssay
TargetAlpha-1D adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <5.01E+3nMAssay Description:In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as fu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  20nMAssay Description:In vitro activation of human alpha-1A receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1B adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <5.01E+3nMAssay Description:In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  137nMAssay Description:Compound was tested for 5-hydroxytryptamine 1D like receptor-mediated vascular effect in rabbit saphenous vein (RSV)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataIC50: 300nMAssay Description:Binding affinity against alpha-1 adrenergic receptor is the ability to inhibit the specific [3H]prazosin binding (0.4 nM) to rat isolated brain membr...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataIC50: 5nMAssay Description:50% inhibition of specific [3H]clonidine binding (0.4 nM) to Alpha-2 adrenergic receptors in rat isolated brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  20nMAssay Description:Agonist potency against cloned human alpha 1A adrenoceptor expressed in rat-1 fibroblasts.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1D adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <5.01E+3nMAssay Description:Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <5.01E+3nMAssay Description:Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <2.51E+4nMAssay Description:Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblastsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1D adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50: <2.51E+4nMAssay Description:Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  3.30nMAssay Description:Agonist potency at Alpha-2A stably expressed in CHO cells.More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  20nMAssay Description:Agonist potency at Alpha-1 adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1 adrenergic receptorMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  347nMAssay Description:In vitro agonist potency towards Alpha-1A adrenergic receptor in canine prostateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  288nMAssay Description:In vitro agonist potency towards Alpha-1A adrenergic receptor in rat vas deferensMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1B adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  339nMAssay Description:In vitro agonist potency towards Alpha-1B adrenergic receptor in rat spleenMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-1D adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataEC50:  8.32E+3nMAssay Description:In vitro agonist potency towards Alpha-1D adrenergic receptor in rat aortaMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.260nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.260nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Veterans Affairs Medical Center

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.300nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1B receptor using [3H]5-HT trifluoroacetate as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Virginia Commonwealth University

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 1D receptor using [3H]5-HT trifluoroacetate as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.790nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 1B(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  0.810nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
Target5-hydroxytryptamine receptor 1D(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.28nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.28nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.30nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.36nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.44nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.45nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Bovine)
Smithkline Beecham Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.5nMAssay Description:Compound was evaluated for inhibition of binding of [3H]MK-91 to Alpha-2 adrenergic receptor in bovine pinealMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.5nMAssay Description:Displacement of [3H]-clonidine from alpha2-adrenergic receptor in rat brain cortex after 30 mins by Microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.90nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.90nMAssay Description:The ability to displace [3H]clonidine from the Alpha-2 adrenergic receptor was determined in rat brain membraneMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  1.90nMAssay Description:Displacement of [3H]clonidine from alpha-adrenergic receptor in rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
Target5-hydroxytryptamine receptor 1B(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  2.51nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2A adrenergic receptor(Pig)
University of Nebraska

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  3.19nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  3.30nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2B adrenergic receptor(Rabbit)
Glaxosmithkline

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  4.5nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  4.90nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetNischarin(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  6.20nMAssay Description:Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets analyzed under norepinephrine mask of alpha 2ARMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAlpha-2B adrenergic receptor(Rabbit)
Glaxosmithkline

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  6.30nMMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAlpha-1A adrenergic receptor(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  6.5nMAssay Description:Binding affinity towards Alpha-1A adrenergic receptor in rat submaxillary glandsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  7.24nMMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAlpha-1A adrenergic receptor(Dog)
Unwersity of Misscuri

Curated by PDSP Ki Database
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetAlpha-2A adrenergic receptor(Human)
Glaxosmithkline Research Laboratories

Curated by ChEMBL
LigandPNGBDBM30712(SMR000059324 | Oxymetazoline | cid_66259 | 6-tert-...)
Affinity DataKi:  9.68nMMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
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